MMsINC Database Search


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MMsINC code: MMs00092158

Type: Neutral
Formula: C₁₉H₁₄N₂O₃

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3occc3)c(cc1)C)cccc2

InChI:

InChI=1/C19H14N2O3/c1-12-8-9-13(19-21-14-5-2-3-6-16(14)24-19)11-15(12)20-18(22)17-7-4-10-23-17/h2-11H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3618 kcal/mol

Physical Properties
Molecular Weight: 318.332 g/mol	logS: -6.58258	SlogP: 4.64852	Reactive groups: 0

Topological Properties
Globularity: 0.00809605	Sterimol/B1: 2.5167	Sterimol/B2: 2.52101	Sterimol/B3: 2.6013
Sterimol/B4: 8.96779	Sterimol/L: 17.5215

Surface and Volume Properties
Accessible surface: 578.371	Positive charged surface: 309.763	Negative charged surface: 268.607	Volume: 299.75
Hydrophobic surface: 496.555	Hydrophilic surface: 81.816

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.